N-[4-oxidanylidene-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide CAS Name: N-[4-oxo-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]amino]butyl]thiophene-2-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NCCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CSC(=C1)C(=O)NCCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H21N5O2S/c25-18(4-1-9-21-19(26)17-3-2-10-27-17)22-11-15-5-7-16(8-6-15)12-24-14-20-13-23-24/h2-3,5-8,10,13-14H,1,4,9,11-12H2,(H,21,26)(H,22,25)